Vibrational Frequencies calculated at MP4/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
3171 |
3066 |
|
|
|
|
| 2 |
A1 |
1798 |
1738 |
|
|
|
|
| 3 |
A1 |
1377 |
1331 |
|
|
|
|
| 4 |
A1 |
830 |
803 |
|
|
|
|
| 5 |
B1 |
649 |
627 |
|
|
|
|
| 6 |
B1 |
396 |
383 |
|
|
|
|
| 7 |
B2 |
3274 |
3166 |
|
|
|
|
| 8 |
B2 |
932 |
901 |
|
|
|
|
| 9 |
B2 |
347 |
336 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 6387.0 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 6175.6 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.